[(4S,4aS,5Z,7S,8S)-8-hydroxy-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2H-benzo[8]annulen-7-yl] acetate
| Internal ID | e813b1eb-2164-42bd-b649-4afbb04b6a66 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(4S,4aS,5Z,7S,8S)-8-hydroxy-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2H-benzo[8]annulen-7-yl] acetate |
| SMILES (Canonical) | CC1CCC=C2C1(C=C(C(C(CC2)O)OC(=O)C)C)C |
| SMILES (Isomeric) | C[C@H]1CCC=C2[C@@]1(/C=C(\[C@@H]([C@H](CC2)O)OC(=O)C)/C)C |
| InChI | InChI=1S/C17H26O3/c1-11-10-17(4)12(2)6-5-7-14(17)8-9-15(19)16(11)20-13(3)18/h7,10,12,15-16,19H,5-6,8-9H2,1-4H3/b11-10-/t12-,15-,16-,17+/m0/s1 |
| InChI Key | UPMMTQHHDKQSNI-JCORWKKKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H26O3 |
| Molecular Weight | 278.40 g/mol |
| Exact Mass | 278.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [(4S,4aS,5Z,7S,8S)-8-hydroxy-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2H-benzo[8]annulen-7-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/e87a30a0-85f2-11ee-a3a2-cdde290fcd97.jpg "2D Structure of [(4S,4aS,5Z,7S,8S)-8-hydroxy-4,4a,6-trimethyl-3,4,7,8,9,10-hexahydro-2H-benzo[8]annulen-7-yl] acetate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.70% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.44% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.27% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.79% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.82% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.41% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.16% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.21% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.21% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.72% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.27% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.44% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.51% | 92.94% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.25% | 98.75% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.46% | 93.04% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.46% | 97.21% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 16742635 |
| LOTUS | LTS0213934 |
| wikiData | Q105276870 |